1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one

C8H12N4OS — CID 164655005

IUPAC1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one
SMILESNN1CCCN(Cc2ccns2)C1=O
InChIInChI=1S/C8H12N4OS/c9-12-5-1-4-11(8(12)13)6-7-2-3-10-14-7/h2-3H,1,4-6,9H2
InChIKeyYFAGMDKSARHCKX-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.64
Rot. Bonds2

About 1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one

1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one (PubChem CID 164655005) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one
PubChem CID164655005
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one
SMILESNN1CCCN(Cc2ccns2)C1=O
InChIInChI=1S/C8H12N4OS/c9-12-5-1-4-11(8(12)13)6-7-2-3-10-14-7/h2-3H,1,4-6,9H2
InChIKeyYFAGMDKSARHCKX-UHFFFAOYSA-N
XLogP0.64
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one (CID 164655005) is 1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one is NN1CCCN(Cc2ccns2)C1=O.
What is the InChIKey of 1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one?
The InChIKey is YFAGMDKSARHCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c9-12-5-1-4-11(8(12)13)6-7-2-3-10-14-7/h2-3H,1,4-6,9H2.
What are the key properties of 1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one?
1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one has a molecular weight of 212.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,2-thiazol-5-ylmethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 164655005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).